SCHEMBL7329148

SCHEMBL7329148

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(C)c2ccc(C#CC(S)CNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.40
ITGA2B P08514 5/20 0.40
UTS2R Q9UKP6 3/20 0.34
GABRA1 P14867 5/20 0.33
GABRG2 P18507 5/20 0.33
GABRB3 P28472 5/20 0.33
GABRA5 P31644 5/20 0.33
GABRA3 P34903 5/20 0.33
GABRA2 P47869 5/20 0.33
GABRA6 Q16445 4/20 0.33
GABRB2 P47870 3/20 0.33
GABRA4 P48169 3/20 0.33
MAPT P10636 1/20 0.32
SYK P43405 1/20 0.31
HDAC1 Q13547 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7321637 0.92 UTS2R (0.36) ITGB3ITGA2BUTS2RGABRA1GABRG2
SCHEMBL7325129 0.92 ITGB3 (0.34) ITGB3ITGA2BUTS2RGABRA1GABRG2
SCHEMBL7331886 0.91 ITGB3 (0.33) ITGB3ITGA2BUTS2RGABRA1GABRG2
SCHEMBL7363816 0.90 ITGB3 (0.46) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7333049 0.86 ITGB3 (0.40) ITGB3ITGA2BUTS2RHDAC1
SCHEMBL7326553 0.85 MDM2 (0.33) ITGB3ITGA2BUTS2RGABRA1GABRG2
SCHEMBL7323162 0.84 ITGB3 (0.39) ITGB3ITGA2BUTS2RGABRA1GABRG2
SCHEMBL7334965 0.83 ITGB3 (0.38) ITGB3ITGA2BUTS2RGABRA1GABRG2
SCHEMBL7322172 0.83 ITGB3 (0.41) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7332398 0.82 ITGB3 (0.39) ITGB3ITGA2BUTS2RGABRA1GABRG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed